The low-lying electronic states of MgO

Bauschlicher, CW; Schwenke, DW

Bauschlicher, CW (reprint author), NASA, Ames Res Ctr, Thermal Protect Mat Branch, Mail Stop 230-3, Moffett Field, CA 94035 USA.

CHEMICAL PHYSICS LETTERS, 2017; 683 ( ): 62

Abstract

The low-lying singlet and triplet states of MgO have been studied using a SA-CASCF/IC-MRCI approach using the aug-cc-pV5Z basis set. The spectroscopic......

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